4'-Thiothymidine
TL;DR: 4'-Thiothymidine (CAS 134111-33-4) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 4'-Thiothymidine, 4/'-Thiothymidine, 4dst, Thymidine, 4'-thio-, 4 -O-Thiathymidine
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 134111-33-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O |
| InChIKey | IVUDHNYLTWOARV-XLPZGREQSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Thiothymidine (CAS 134111-33-4), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 4'-Thiothymidine
Property Insights of 4'-Thiothymidine
The XLogP value of -0.4 indicates that 4'-Thiothymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Thiothymidine. Following Lipinski's Rule of Five, 4'-Thiothymidine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Thiothymidine?
The CAS number of 4'-Thiothymidine is 134111-33-4.
What is the molecular formula of 4'-Thiothymidine?
The molecular formula of 4'-Thiothymidine is C10H14N2O4S.
What is the molecular weight of 4'-Thiothymidine?
The molecular weight of 4'-Thiothymidine is 258.07 g/mol.
Where can I buy 4'-Thiothymidine?
You can request a quote for 4'-Thiothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Thiothymidine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Thiothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.